(E)-3-(2,6-dichlorophenyl)-N-[3-(dimethylsulfamoyl)phenyl]prop-2-enamide

C17H16Cl2N2O3S — CID 8961643

IUPAC(E)-3-(2,6-dichlorophenyl)-N-[3-(dimethylsulfamoyl)phenyl]prop-2-enamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)/C=C/c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C17H16Cl2N2O3S/c1-21(2)25(23,24)13-6-3-5-12(11-13)20-17(22)10-9-14-15(18)7-4-8-16(14)19/h3-11H,1-2H3,(H,20,22)/b10-9+
InChIKeyVVJMTTWJGKOVTF-MDZDMXLPSA-N
MW399.30 g/mol
LogP3.90
Rot. Bonds5

About (E)-3-(2,6-dichlorophenyl)-N-[3-(dimethylsulfamoyl)phenyl]prop-2-enamide

(E)-3-(2,6-dichlorophenyl)-N-[3-(dimethylsulfamoyl)phenyl]prop-2-enamide (PubChem CID 8961643) has the molecular formula C17H16Cl2N2O3S and a molecular weight of 399.30 g/mol. Its IUPAC name is (E)-3-(2,6-dichlorophenyl)-N-[3-(dimethylsulfamoyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,6-dichlorophenyl)-N-[3-(dimethylsulfamoyl)phenyl]prop-2-enamide
PubChem CID8961643
Molecular FormulaC17H16Cl2N2O3S
Molecular Weight399.30 g/mol
Exact Mass398.03
IUPAC Name(E)-3-(2,6-dichlorophenyl)-N-[3-(dimethylsulfamoyl)phenyl]prop-2-enamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)/C=C/c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C17H16Cl2N2O3S/c1-21(2)25(23,24)13-6-3-5-12(11-13)20-17(22)10-9-14-15(18)7-4-8-16(14)19/h3-11H,1-2H3,(H,20,22)/b10-9+
InChIKeyVVJMTTWJGKOVTF-MDZDMXLPSA-N
XLogP3.90
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.30
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-(2,6-dichlorophenyl)-N-[3-(dimethylsulfamoyl)phenyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,6-dichlorophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 732081
(E)-N-[3-(dimethylsulfamoyl)phenyl]-3-naphthalen-1-ylprop-2-enamide
CID 55485816
N-[3-(dimethylsulfamoyl)phenyl]-3-(4-nitrophenyl)prop-2-enamide
CID 3377274
2-(2,6-dichlorophenyl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 51157673
(E)-N-[3-(dimethylsulfamoyl)phenyl]-3-quinolin-8-ylprop-2-enamide
CID 51333611
(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[3-(dimethylsulfamoyl)phenyl]prop-2-enamide
CID 26289208
(E)-N-[3-(dimethylsulfamoyl)phenyl]-3-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 8961604
(E)-3-(2-chloro-6-fluorophenyl)-N-[3-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]phenyl]prop-2-enamide
CID 6265107
1-(3,4-dichlorophenyl)-3-[3-(dimethylsulfamoyl)phenyl]thiourea
CID 3962779
5-chloro-N-[3-(dimethylsulfamoyl)phenyl]pentanamide
CID 43346819
3-(2,6-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
CID 4198574
N-(1,3-benzodioxol-5-yl)-3-(2,6-dichlorophenyl)prop-2-enamide
CID 4224887

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,6-dichlorophenyl)-N-[3-(dimethylsulfamoyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(2,6-dichlorophenyl)-N-[3-(dimethylsulfamoyl)phenyl]prop-2-enamide (CID 8961643) is (E)-3-(2,6-dichlorophenyl)-N-[3-(dimethylsulfamoyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2,6-dichlorophenyl)-N-[3-(dimethylsulfamoyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2,6-dichlorophenyl)-N-[3-(dimethylsulfamoyl)phenyl]prop-2-enamide is CN(C)S(=O)(=O)c1cccc(NC(=O)/C=C/c2c(Cl)cccc2Cl)c1.
What is the InChIKey of (E)-3-(2,6-dichlorophenyl)-N-[3-(dimethylsulfamoyl)phenyl]prop-2-enamide?
The InChIKey is VVJMTTWJGKOVTF-MDZDMXLPSA-N. The full InChI is InChI=1S/C17H16Cl2N2O3S/c1-21(2)25(23,24)13-6-3-5-12(11-13)20-17(22)10-9-14-15(18)7-4-8-16(14)19/h3-11H,1-2H3,(H,20,22)/b10-9+.
What are the key properties of (E)-3-(2,6-dichlorophenyl)-N-[3-(dimethylsulfamoyl)phenyl]prop-2-enamide?
(E)-3-(2,6-dichlorophenyl)-N-[3-(dimethylsulfamoyl)phenyl]prop-2-enamide has a molecular weight of 399.30 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,6-dichlorophenyl)-N-[3-(dimethylsulfamoyl)phenyl]prop-2-enamide is sourced from PubChem (CID 8961643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).